N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-furfuryl)acetamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c21-9-5-10-23(16-18-6-4-15-28-18)20(25)17-22-11-13-24(14-12-22)29(26,27)19-7-2-1-3-8-19/h1-4,6-8,15H,5,10-14,16-17H2/p+1